SCHEMBL941092

SCHEMBL941092

C/C(=N\NC(N)=S)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.70
HSP90AA1 P07900 4/20 0.62
SLC2A1 P11166 2/20 0.60
HKDC1 Q2TB90 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PTBP1 P26599 1/20 0.59
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ATM Q13315 1/20 0.58
METTL3 Q86U44 1/20 0.58
CTSK P43235 1/20 0.57
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL941093 1.00 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL9319994 1.00 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL28493225 0.98 TOP2A (0.68) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL28494134 0.98 TOP2A (0.68) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL22056136 0.84 TOP2A (0.76) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL5526339 0.84 NPC1 (0.63) TOP2AHSP90AA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10747534 0.84 TOP2A (0.61) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL29378716 0.84 NPC1 (0.63) TOP2AHSP90AA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27178963 0.84 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL800985 0.83 AGTR1 (0.53) TOP2AHKDC1SMN1; SMN2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN claimed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
US-20190256460-A1 (THIO, OXO AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-08-22 US disclosed
US-10221133-B2 (Thio, oxo, and seleno) semicarbazone complexes with zinc and their use for treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-05 US disclosed
US-20180002279-A1 (THIO, OXO, AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-01-04 US disclosed
WO-2016123246-A1 (THIO, OXO AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 WO disclosed
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
WO-2007062015-A2 METHODS OF TREATING ISCHEMIC RELATED CONDITIONS PANACEA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 TOP2A 217/4885HSP90AA1 288/4885SLC2A1 3201/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B TOP2A 291/4885HSP90AA1 1114/4885SLC2A1 3944/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 TOP2A 217/4885HSP90AA1 288/4885SLC2A1 3201/4885
US-20190256460-A1 (THIO, OXO AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER SLC39A3, SLC30A6, SLC39A11 TOP2A 430/4885HSP90AA1 2413/4885SLC2A1 1088/4885
US-20180002279-A1 (THIO, OXO, AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER SLC39A3, SLC39A11, SLC39A7 TOP2A 513/4885HSP90AA1 2072/4885SLC2A1 776/4885
US-10221133-B2 (Thio, oxo, and seleno) semicarbazone complexes with zinc and their use for treating cancer SLC39A3, SLC39A11, SLC39A7 TOP2A 513/4885HSP90AA1 2072/4885SLC2A1 776/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 TOP2A 217/4885HSP90AA1 288/4885SLC2A1 3201/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B TOP2A 291/4885HSP90AA1 1114/4885SLC2A1 3944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.